Crystallography Open Database

Information card for entry 7120806

7120805 << 7120806 >> 7120807

Preview

Coordinates	7120806.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ethyl 2-(4-chlorophenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[c]quinoline-4-carboxylate
Formula	C22 H20 Cl N O2
Calculated formula	C22 H20 Cl N O2
SMILES	Clc1ccc([C@@H]2Cc3c(c(nc4ccccc34)C(=O)OCC)[C@@H]2C)cc1.Clc1ccc([C@H]2Cc3c(c(nc4ccccc34)C(=O)OCC)[C@H]2C)cc1
Title of publication	A Serendipitous Cascade of Rhodium Vinylcarbenoids with Aminochalcones for the Synthesis of Functionalized Quinolines
Authors of publication	Chinthapally, Kiran; Massaro, Nicholas P.; Padgett, Haylee L.; Sharma, Indrajeet
Journal of publication	Chem. Commun.
Year of publication	2017
a	8.1448 ± 0.0013 Å
b	10.1417 ± 0.0016 Å
c	12.1318 ± 0.0019 Å
α	107.878 ± 0.003°
β	104.781 ± 0.003°
γ	99.492 ± 0.003°
Cell volume	889.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202164 (current)	2017-10-20	cif/ Adding structures of 7120805, 7120806 via cif-deposit CGI script.	7120806.cif